5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid

C17H12FNO3 — CID 122573995

IUPAC5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
SMILESC=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12
InChIInChI=1S/C17H12FNO3/c1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14/h3-8H,1H2,2H3,(H,20,21)
InChIKeyDUTBKVQEDSLONX-UHFFFAOYSA-N
MW297.29 g/mol
LogP4.37
Rot. Bonds3

About 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid

5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid (PubChem CID 122573995) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
PubChem CID122573995
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
SMILESC=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12
InChIInChI=1S/C17H12FNO3/c1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14/h3-8H,1H2,2H3,(H,20,21)
InChIKeyDUTBKVQEDSLONX-UHFFFAOYSA-N
XLogP4.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide
CID 159342716
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122574086
1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
CID 142311055
7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573980
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
7-tert-butyl-5-(4-chloro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573941
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid (CID 122573995) is 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid is C=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.
What is the InChIKey of 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is DUTBKVQEDSLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14/h3-8H,1H2,2H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid?
5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 122573995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).